SCHEMBL1018886

SCHEMBL1018886

CS(=O)(=O)c1cc(C[N+](=O)[O-])c(O)c(C[N+](=O)[O-])c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 2/20 0.39
ERN1 O75460 1/20 0.38
CA12 O43570 3/20 0.36
CA1 P00915 3/20 0.36
CA2 P00918 3/20 0.36
CA9 Q16790 3/20 0.36
ALDH1A1 P00352 4/20 0.35
GAA P10253 2/20 0.35
MAPT P10636 2/20 0.35
LMNA P02545 2/20 0.35
TDP1 Q9NUW8 2/20 0.34
HPGD P15428 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 1/20 0.33
PKM P14618 1/20 0.33
MAPK1 P28482 1/20 0.33
NSD2 O96028 1/20 0.33
PLCG1 P19174 1/20 0.33
DNMT1 P26358 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29020321 0.72 ALDH1A1 (0.46) ALDH1A1GAAMAPTLMNATDP1
SCHEMBL10801450 0.72 CA9 (0.49) ERN1CA12CA1CA2CA9
SCHEMBL29272834 0.71 CASP6 (0.40) ALDH1A1GAALMNATDP1HPGD
SCHEMBL27965044 0.69 KCNJ1 (0.47) ENPP2CA12CA1CA2CA9
SCHEMBL1018977 0.69 CYP3A4 (0.42) ALDH1A1GAAMAPTLMNATDP1
SCHEMBL9464985 0.67 CA9 (0.73) ERN1CA12CA1CA2CA9
SCHEMBL29464249 0.66 CA9 (0.57) ERN1CA12CA1CA2CA9
SCHEMBL10803711 0.66 CA9 (0.57) ERN1CA12CA1CA2CA9
SCHEMBL29464254 0.66 CA9 (0.57) ERN1CA12CA1CA2CA9
SCHEMBL2437802 0.66 CYTH2 (0.46) ENPP2CA12CA1CA2CA9

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8568685-B2 Separation of nanostructures MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2013-10-29 US disclosed
US-20110011773-A1 Separation of Nanostructures MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2011-01-20 US disclosed
EP-2225174-A2 SEPARATION OF NANOSTRUCTURES Massachusetts Institute of Technology (US) 2010-09-08 EP disclosed
WO-2009070240-A2 SEPARATION OF NANOSTRUCTURES MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2009-06-04 WO disclosed